CID 8899708

3-phenylfuran-2-carboxylic acid

Structural Information

Molecular Formula
C11H8O3
SMILES
C1=CC=C(C=C1)C2=C(OC=C2)C(=O)O
InChI
InChI=1S/C11H8O3/c12-11(13)10-9(6-7-14-10)8-4-2-1-3-5-8/h1-7H,(H,12,13)
InChIKey
FSFXNTONSBUTHK-UHFFFAOYSA-N
Compound name
3-phenylfuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

105
Patents

188.04735 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.05463 137.9
[M+Na]+ 211.03657 150.9
[M+NH4]+ 206.08117 146.2
[M+K]+ 227.01051 147.3
[M-H]- 187.04007 142.1
[M+Na-2H]- 209.02202 145.4
[M]+ 188.04680 140.8
[M]- 188.04790 140.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe